CID 1477779

179057-14-8

Structural Information

Molecular Formula

C₁₁H₉NO₃

SMILES

COC(=O)C1=CC=C(C=C1)C2=CN=CO2

InChI

InChI=1S/C11H9NO3/c1-14-11(13)9-4-2-8(3-5-9)10-6-12-7-15-10/h2-7H,1H3

InChIKey

LFNHUUMUCVZCGY-UHFFFAOYSA-N

Compound name

methyl 4-(1,3-oxazol-5-yl)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 120
Patents: 203.05824 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	204.065516	140.6
[M+Na]+	226.047458	149.5
[M-H]-	202.050964	147.3
[M+NH4]+	221.092063	158.7
[M+K]+	242.021398	148.9
[M+H-H2O]+	186.055500	133.6
[M+HCOO]-	248.056441	164.5
[M+CH3COO]-	262.072091	182.1
[M+Na-2H]-	224.032906	146.7
[M]+	203.05769142	143.9
[M]-	203.05878858	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe